SCHEMBL3347596

SCHEMBL3347596

Ic1cccc(Cn2cccn2)c1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.60
TSHR P16473 2/20 0.55
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
MAPT P10636 3/20 0.49
GAA P10253 2/20 0.49
PRKACA P17612 1/20 0.48
PRKACG P22612 1/20 0.48
PRKACB P22694 1/20 0.48
HDAC1 Q13547 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
ALOX15 P16050 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NOS3 P29474 1/20 0.44
NOS1 P29475 1/20 0.44
CA12 O43570 1/20 0.44
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
CA9 Q16790 1/20 0.44
GLS O94925 3/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14256403 0.89 HTT (0.68) HTTTSHRKMT2AMEN1MAPT
SCHEMBL13933220 0.82 HTT (0.60) HTTTSHRKMT2AMEN1MAPT
SCHEMBL3521224 0.81 MAPT (0.60) HTTTSHRKMT2AMEN1MAPT
SCHEMBL1851019 0.81 HTT (0.59) HTTTSHRKMT2AMEN1MAPT
SCHEMBL16347168 0.81 HTT (0.59) HTTTSHRKMT2AMEN1MAPT
SCHEMBL14987117 0.81 HTT (0.63) HTTTSHRKMT2AMEN1MAPT
SCHEMBL10053588 0.81 HTT (0.59) HTTTSHRKMT2AMEN1MAPT
SCHEMBL1459408 0.81 HTT (0.59) HTTTSHRKMT2AMEN1MAPT
SCHEMBL30046565 0.81 HTT (0.59) HTTTSHRKMT2AMEN1MAPT
SCHEMBL29809114 0.81 HTT (0.59) HTTTSHRKMT2AMEN1MAPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2178858-B1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LTD (IE) 2011-12-28 EP disclosed
EP-2393780-A1 HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2011-12-14 EP disclosed
US-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-12-16 US disclosed
WO-2010089119-A1 HETEROCYCLIC DERIVATIVES AS M-GLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2010-08-12 WO disclosed
WO-2010066658-A1 COMPOUNDS WHICH POTENTIATE THE AMPA RECEPTOR AND USES THEREOF IN MEDICINE GLAXO GROUP LIMITED (GB) 2010-06-17 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20100317630-A1 NOVEL HETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS GRM5, GRIK5, HRH2 HTT 544/4885TSHR 1038/4885KMT2A 2670/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.